(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

C16H21ClN4O4S — CID 120920236

IUPAC(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)o1.Cl
InChIInChI=1S/C16H20N4O4S.ClH/c1-9-14(17-5-6-23-9)15(22)20-16-19-12(8-25-16)13-4-3-11(24-13)7-18-10(2)21;/h3-4,8-9,14,17H,5-7H2,1-2H3,(H,18,21)(H,19,20,22);1H/t9-,14+;/m1./s1
InChIKeyMVYIMSWCVITHHO-ZISODDOFSA-N
MW400.89 g/mol
LogP1.78
Rot. Bonds5

About (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120920236) has the molecular formula C16H21ClN4O4S and a molecular weight of 400.89 g/mol. Its IUPAC name is (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120920236
Molecular FormulaC16H21ClN4O4S
Molecular Weight400.89 g/mol
Exact Mass400.10
IUPAC Name(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)o1.Cl
InChIInChI=1S/C16H20N4O4S.ClH/c1-9-14(17-5-6-23-9)15(22)20-16-19-12(8-25-16)13-4-3-11(24-13)7-18-10(2)21;/h3-4,8-9,14,17H,5-7H2,1-2H3,(H,18,21)(H,19,20,22);1H/t9-,14+;/m1./s1
InChIKeyMVYIMSWCVITHHO-ZISODDOFSA-N
XLogP1.78
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919340
(2R,3S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920446
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 24644942
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[[5-[2-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54210566
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
N-[[5-[2-[[N'-(cyclohexylmethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10384861
(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119696350

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120920236) is (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)o1.Cl.
What is the InChIKey of (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is MVYIMSWCVITHHO-ZISODDOFSA-N. The full InChI is InChI=1S/C16H20N4O4S.ClH/c1-9-14(17-5-6-23-9)15(22)20-16-19-12(8-25-16)13-4-3-11(24-13)7-18-10(2)21;/h3-4,8-9,14,17H,5-7H2,1-2H3,(H,18,21)(H,19,20,22);1H/t9-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 400.89 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).